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CAS 491613-65-1 Dicliripariside A molecular structure lightbox
CAS RN: 491613-65-1

Dicliripariside A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS491613-65-1
  • Purity/Analytical Methods: >99.0%
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491613-65-1 / (1S,6E,11R,12S,13R,14R,15S,20E,25R,26S,27R,28R)-3,17-bis(ethenyl)-12,13,14,26,27,28-hexahydroxy-3,7,17,21-tetramethyl-2,9,16,23,29,30-hexaoxatricyclo[23.3.1.111,15]triaconta-6,20-diene-8,22-dione

Standard CAS: 491613-65-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
491613-65-1
Multi CAS
Yes
Molecular Formula
C32H48O14
Molecular Weight
656.700000
Exact Mass
656.304406
InChI
InChI=1S/C32H48O14/c1-7-31(5)13-9-11-17(3)27(39)42-16-20-22(34)24(36)26(38)30(44-20)46-32(6,8-2)14-10-12-18(4)28(40)41-15-19-21(33)23(35)25(37)29(43-19)45-31/h7-8,11-12,19-26,29-30,33-38H,1-2,9-10,13-16H2,3-6H3/b17-11-,18-12-/t19-,20-,21-,22-,23-,24-,25-,26-,29+,30+,31?,32?/m1/s1
InChIKey
IINZASCKGHCXIA-QEDIHRPMSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
14
H-bond donors
6
Molar refractivity
160.64
TPSA
210.9

LogP / Solubility

WLOGP
0.08
MLOGP
0.12
XLogP3
0.3
Consensus LogP
0.17
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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